10,12,15-Octadecatrienoicacid,9-hydroxy-,(9S,10E,12Z,15Z)-

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CAS
89886-42-0
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Purity
96%
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Catalog Number

ACM89886420

Product Name

10,12,15-Octadecatrienoicacid,9-hydroxy-,(9S,10E,12Z,15Z)-

Structure

Structure

CAS

89886-42-0

Category

Heterocyclic Organic Compound

Synonyms

9(S)-HOT;9(S)-HOTRE;9(S)-HYDROXY-10(E),12(Z),15(Z)-OCTADECATRIENOIC ACID;(9S810E812Z,15Z)-9-HYDROXY-10,12,15-*OCTADECATRIENO;9(R)-Hydroxy-10(E),12(Z),15(Z)-octadecatrienoic acid;9-hydroxy-10,12,15-octadecatrienoic acid

IUPAC Name

(9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid

Molecular Weight

294.429

Molecular Formula

C₁₈H₃₀O₃

Canonical SMILES

CCC=CCC=CC=CC(CCCCCCCC(=O)O)O

InChI Key

RIGGEAZDTKMXSI-MEBVTJQTSA-N

Boiling Point

428.9ºCat 760 mmHg

Flash Point

227.3ºC

Density

0.984 g/cm³

Appearance

A solution in ethanol

Exact Mass

294.21900

Hazard Statements

F: Flammable;

H-Bond Acceptor

3

H-Bond Donor

2

Safety Description

7-16

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 9(S)-HOTrE?

The molecular formula of 9(S)-HOTrE is C18H30O3.

What is the molecular weight of 9(S)-HOTrE?

The molecular weight of 9(S)-HOTrE is 294.4 g/mol.

What is the IUPAC name of 9(S)-HOTrE?

The IUPAC name of 9(S)-HOTrE is (9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid.

What is the InChI key of 9(S)-HOTrE?

The InChI key of 9(S)-HOTrE is RIGGEAZDTKMXSI-MEBVTJQTSA-N.

What is the canonical SMILES of 9(S)-HOTrE?

The canonical SMILES of 9(S)-HOTrE is CCC=CCC=CC=CC(CCCCCCCC(=O)O)O.

What is the CAS number of 9(S)-HOTrE?

The CAS number of 9(S)-HOTrE is 89886-42-0.

What is the XLogP3-AA value of 9(S)-HOTrE?

The XLogP3-AA value of 9(S)-HOTrE is 4.7.

How many hydrogen bond donor counts does 9(S)-HOTrE have?

9(S)-HOTrE has 2 hydrogen bond donor counts.

How many rotatable bond counts does 9(S)-HOTrE have?

9(S)-HOTrE has 13 rotatable bond counts.

What is the topological polar surface area of 9(S)-HOTrE?

The topological polar surface area of 9(S)-HOTrE is 57.5 ?^2.

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